2-(4-tert-butylphenyl)-5-methyl-1H-imidazole

C14H18N2 — CID 44512575

IUPAC2-(4-tert-butylphenyl)-5-methyl-1H-imidazole
SMILESCc1cnc(-c2ccc(C(C)(C)C)cc2)[nH]1
InChIInChI=1S/C14H18N2/c1-10-9-15-13(16-10)11-5-7-12(8-6-11)14(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyCFYHQCCASVOETL-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.68
Rot. Bonds1

About 2-(4-tert-butylphenyl)-5-methyl-1H-imidazole

2-(4-tert-butylphenyl)-5-methyl-1H-imidazole (PubChem CID 44512575) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-methyl-1H-imidazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-methyl-1H-imidazole
PubChem CID44512575
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(4-tert-butylphenyl)-5-methyl-1H-imidazole
SMILESCc1cnc(-c2ccc(C(C)(C)C)cc2)[nH]1
InChIInChI=1S/C14H18N2/c1-10-9-15-13(16-10)11-5-7-12(8-6-11)14(2,3)4/h5-9H,1-4H3,(H,15,16)
InChIKeyCFYHQCCASVOETL-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-1H-imidazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-methyl-1H-imidazole (CID 44512575) is 2-(4-tert-butylphenyl)-5-methyl-1H-imidazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-methyl-1H-imidazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-methyl-1H-imidazole is Cc1cnc(-c2ccc(C(C)(C)C)cc2)[nH]1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-methyl-1H-imidazole?
The InChIKey is CFYHQCCASVOETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-9-15-13(16-10)11-5-7-12(8-6-11)14(2,3)4/h5-9H,1-4H3,(H,15,16).
What are the key properties of 2-(4-tert-butylphenyl)-5-methyl-1H-imidazole?
2-(4-tert-butylphenyl)-5-methyl-1H-imidazole has a molecular weight of 214.31 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-methyl-1H-imidazole is sourced from PubChem (CID 44512575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).